SCHEMBL22756173

SCHEMBL22756173

CCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)s4)C(O)N[C@H](C(=O)O)[C@@H](C)O)cc3)nc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ ITGB3 P05106 3/20 0.38
▸ ITGA2B P08514 3/20 0.38
▸ ITGB1 P05556 3/20 0.37
▸ ITGA4 P13612 3/20 0.37
▸ RARB P10826 3/20 0.36
▸ S1PR1 P21453 4/20 0.36
▸ S1PR3 Q99500 4/20 0.36
▸ S1PR4 O95977 3/20 0.36
▸ S1PR5 Q9H228 2/20 0.36
▸ ENPP2 Q13822 2/20 0.35
▸ ACACB O00763 1/20 0.35
▸ XIAP P98170 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20900618 0.92 ITGB1 (0.38) PPARGPPARAITGB3ITGA2BITGB1
SCHEMBL20427110 0.92 ITGB1 (0.38) PPARGPPARAITGB3ITGA2BITGB1
SCHEMBL20900636 0.91 ITGB3 (0.41) PPARGPPARAITGB3ITGA2BITGB1
SCHEMBL19806837 0.91 PPARG (0.36) PPARGPPARAITGB3ITGA2BITGB1
SCHEMBL22384279 0.90 ITGB1 (0.44) PPARGITGB3ITGA2BITGB1ITGA4
SCHEMBL20426081 0.90 ITGB3 (0.43) PPARGPPARAITGB3ITGA2BITGB1
SCHEMBL20426113 0.89 ITGB3 (0.45) PPARGPPARAITGB3ITGA2BITGB1
SCHEMBL20900630 0.89 ITGB3 (0.36) PPARGPPARAITGB3ITGA2BITGB1
SCHEMBL20900638 0.89 ITGB3 (0.36) PPARGPPARAITGB3ITGA2BITGB1
SCHEMBL22384107 0.89 RARB (0.39) PPARGPPARAITGB3ITGA2BITGB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3008056-B1 NOVEL GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-12-09 — — EP disclosed
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